CID 204764

Wv 1117

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC(C)N(C)C
InChI
InChI=1S/C17H27NO3/c1-11(2)15-9-16(21-14(5)19)12(3)8-17(15)20-10-13(4)18(6)7/h8-9,11,13H,10H2,1-7H3
InChIKey
CPJBHSSHBZRAAZ-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 171.4
[M+Na]+ 316.188318 177.0
[M-H]- 292.191824 176.3
[M+NH4]+ 311.232923 187.8
[M+K]+ 332.162258 177.2
[M+H-H2O]+ 276.196360 164.4
[M+HCOO]- 338.197301 192.7
[M+CH3COO]- 352.212951 214.5
[M+Na-2H]- 314.173766 169.3
[M]+ 293.19855142 177.6
[M]- 293.19964858 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.